1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol

C12H17N3O — CID 115621594

IUPAC1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-12(2,16)8-13-6-9-3-4-10-7-14-15-11(10)5-9/h3-5,7,13,16H,6,8H2,1-2H3,(H,14,15)
InChIKeyJFSAKWQJBFTPQF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds4

About 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol

1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol (PubChem CID 115621594) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
PubChem CID115621594
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-12(2,16)8-13-6-9-3-4-10-7-14-15-11(10)5-9/h3-5,7,13,16H,6,8H2,1-2H3,(H,14,15)
InChIKeyJFSAKWQJBFTPQF-UHFFFAOYSA-N
XLogP1.42
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 55131583
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
CID 119109884

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol (CID 115621594) is 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol is CC(C)(O)CNCc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol?
The InChIKey is JFSAKWQJBFTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,16)8-13-6-9-3-4-10-7-14-15-11(10)5-9/h3-5,7,13,16H,6,8H2,1-2H3,(H,14,15).
What are the key properties of 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol?
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol has a molecular weight of 219.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 115621594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).